2,4,6-Trihydroxy-3-[1-hydroxy-3-(4-hydroxyphenyl)prop-2-en-1-yl]phenyl beta-D-glucopyranoside

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  • Identifiers

    CAS number
    102716-32-5

    Molecular formula
    C21H24O11

    SMILES
    C1=CC(=CC=C1C=CC(C2=C(C(=C(C=C2O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 72.46%
    Phenolic 30.16%
    Vanilla 29.89%
    Sweet 24.33%
    Spicy 23.63%
    Balsamic 22.55%
    Savory 21.94%
    Bitter 20.78%
    Smoky 20.57%
    Milky 20.27%

     

    Flavor
    Bitter 77.94%
    Odorless 39.66%
    Bland 30.65%
    Sweet-like 26.52%
    Mild 23.42%
    Cedarleaf 20.15%
    Parsley 19.34%
    Eugenol 19.31%
    Nitrile 19.26%
    Lovage 19.1%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    0.3

    pKa est.
    8.89 (weak base)

    Molecular weight
    452.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    4075°C

    Flash point

    • 304.69 ˚C est.

  • Synonyms

    • DTXSID901121765
    • 102716-32-5
    • 2,4,6-Trihydroxy-3-[1-hydroxy-3-(4-hydroxyphenyl)-2-propen-1-yl]phenyl I(2)-D-glucopyranoside
    • 2,4,6-Trihydroxy-3-[1-hydroxy-3-(4-hydroxyphenyl)prop-2-en-1-yl]phenyl beta-D-glucopyranoside
    • 102716-32-5

  • Applications

    2,4,6-Trihydroxy-3-[1-hydroxy-3-(4-hydroxyphenyl)prop-2-en-1-yl]phenyl beta-D-glucopyranoside (CAS 102716-32-5) is a polyphenolic glucoside with potential antioxidant properties and can act as a glycoside form that may release aroma-active aglycones upon hydrolysis. In practical applications, it is commonly evaluated for cosmetics/personal care as an antioxidant stabilizer; in perfumery/fragrance and flavor applications as a fragrance or flavor precursor; in coatings/inks as a stabilizing additive or functional modifier; in polymers/plastics as a stabilizer or processing aid; and in household cleaning products to improve oxidative stability and color retention. It may also serve as a reference polyphenol glycoside for research and development in plant-based or agricultural product formulations. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 43.14
    methanol 70.51
    isopropanol 21.53
    water 2.27
    ethyl acetate 8.97
    n-propanol 33.02
    acetone 71.91
    n-butanol 11.56
    acetonitrile 13.12
    DMF 148.54
    toluene 0.72
    isobutanol 6.62
    1,4-dioxane 24.26
    methyl acetate 13.11
    THF 71.03
    2-butanone 25.87
    n-pentanol 3.66
    sec-butanol 10.72
    n-hexane 0.06
    ethylene glycol 124.02
    NMP 103.39
    cyclohexane 0.23
    DMSO 921.53
    n-butyl acetate 0.79
    n-octanol 2.07
    chloroform 0.27
    n-propyl acetate 1.24
    acetic acid 167.67
    dichloromethane 0.38
    cyclohexanone 13.4
    propylene glycol 124.02
    isopropyl acetate 3.22
    DMAc 162.73
    2-ethoxyethanol 77.55
    isopentanol 3.58
    n-heptane 0.19
    ethyl formate 7.24
    1,2-dichloroethane 0.99
    n-hexanol 2.03
    2-methoxyethanol 265.5
    isobutyl acetate 0.36
    tetrachloromethane 0.12
    n-pentyl acetate 1.59
    transcutol 47.27
    n-heptanol 2.6
    ethylbenzene 0.21
    MIBK 3.1
    2-propoxyethanol 29.85
    tert-butanol 10.61
    MTBE 2.48
    2-butoxyethanol 13.92
    propionic acid 29.43
    o-xylene 0.49
    formic acid 253.92
    diethyl ether 5.67
    m-xylene 0.4
    p-xylene 0.19
    chlorobenzene 0.18
    dimethyl carbonate 16.64
    n-octane 0.12
    formamide 300.16
    cyclopentanone 40.12
    2-pentanone 13.56
    anisole 1.34
    cyclopentyl methyl ether 7.26
    gamma-butyrolactone 48.38
    1-methoxy-2-propanol 123.48
    pyridine 10.3
    3-pentanone 8.23
    furfural 21.86
    n-dodecane 0.08
    diethylene glycol 65.63
    diisopropyl ether 0.56
    tert-amyl alcohol 6.03
    acetylacetone 27.63
    n-hexadecane 0.09
    acetophenone 1.85
    methyl propionate 17.34
    isopentyl acetate 0.59
    trichloroethylene 1.3
    n-nonanol 2.12
    cyclohexanol 5.25
    benzyl alcohol 3.05
    2-ethylhexanol 0.7
    isooctanol 1.45
    dipropyl ether 2.33
    1,2-dichlorobenzene 0.15
    ethyl lactate 5.75
    propylene carbonate 6.31
    n-methylformamide 102.33
    2-pentanol 4.14
    n-pentane 0.14
    1-propoxy-2-propanol 13.65
    1-methoxy-2-propyl acetate 5.55
    2-(2-methoxypropoxy) propanol 12.04
    mesitylene 0.22
    ε-caprolactone 9.81
    p-cymene 0.19
    epichlorohydrin 24.09
    1,1,1-trichloroethane 0.27
    2-aminoethanol 132.81
    morpholine-4-carbaldehyde 78.11
    sulfolane 121.62
    2,2,4-trimethylpentane 0.04
    2-methyltetrahydrofuran 12.73
    n-hexyl acetate 1.92
    isooctane 0.03
    2-(2-butoxyethoxy)ethanol 19.48
    sec-butyl acetate 0.61
    tert-butyl acetate 3.24
    decalin 0.04
    glycerin 260.37
    diglyme 32.06
    acrylic acid 41.17
    isopropyl myristate 0.83
    n-butyric acid 16.41
    acetyl acetate 4.23
    di(2-ethylhexyl) phthalate 1.21
    ethyl propionate 1.87
    nitromethane 214.2
    1,2-diethoxyethane 4.78
    benzonitrile 0.87
    trioctyl phosphate 1.23
    1-bromopropane 0.45
    gamma-valerolactone 79.89
    n-decanol 1.56
    triethyl phosphate 0.98
    4-methyl-2-pentanol 1.13
    propionitrile 4.55
    vinylene carbonate 5.09
    1,1,2-trichlorotrifluoroethane 42.74
    DMS 2.79
    cumene 0.12
    2-octanol 1.24
    2-hexanone 1.96
    octyl acetate 1.54
    limonene 0.37
    1,2-dimethoxyethane 30.73
    ethyl orthosilicate 0.87
    tributyl phosphate 0.93
    diacetone alcohol 18.71
    N,N-dimethylaniline 1.07
    acrylonitrile 9.33
    aniline 3.24
    1,3-propanediol 110.75
    bromobenzene 0.1
    dibromomethane 0.25
    1,1,2,2-tetrachloroethane 1.38
    2-methyl-cyclohexyl acetate 0.86
    tetrabutyl urea 2.29
    diisobutyl methanol 0.49
    2-phenylethanol 1.83
    styrene 0.21
    dioctyl adipate 1.83
    dimethyl sulfate 34.25
    ethyl butyrate 1.16
    methyl lactate 43.45
    butyl lactate 3.9
    diethyl carbonate 0.75
    propanediol butyl ether 16.79
    triethyl orthoformate 1.37
    p-tert-butyltoluene 0.21
    methyl 4-tert-butylbenzoate 4.37
    morpholine 52.11
    tert-butylamine 1.8
    n-dodecanol 1.07
    dimethoxymethane 86.74
    ethylene carbonate 3.96
    cyrene 19.75
    2-ethoxyethyl acetate 4.62
    2-ethylhexyl acetate 0.38
    1,2,4-trichlorobenzene 0.32
    4-methylpyridine 3.23
    dibutyl ether 1.12
    2,6-dimethyl-4-heptanol 0.49
    DEF 17.76
    dimethyl isosorbide 15.41
    tetrachloroethylene 1.1
    eugenol 5.05
    triacetin 4.94
    span 80 10.26
    1,4-butanediol 23.74
    1,1-dichloroethane 0.41
    2-methyl-1-pentanol 1.47
    methyl formate 62.7
    2-methyl-1-butanol 4.29
    n-decane 0.16
    butyronitrile 2.59
    3,7-dimethyl-1-octanol 1.0
    1-chlorooctane 0.39
    1-chlorotetradecane 0.17
    n-nonane 0.15
    undecane 0.11
    tert-butylcyclohexane 0.03
    cyclooctane 0.12
    cyclopentanol 13.82
    tetrahydropyran 10.76
    tert-amyl methyl ether 2.33
    2,5,8-trioxanonane 25.4
    1-hexene 0.21
    2-isopropoxyethanol 18.62
    2,2,2-trifluoroethanol 39.62
    methyl butyrate 2.37

    Scent© AI

1 4

IFRA standard 51

Recommendation
No restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 No restriction Category 7A
Rinse-off products applied to the hair with some hand contact
 No restriction
Category 2
Products applied to the axillae
 No restriction Category 7B
Leave-on products applied to the hair with some hand contact
 No restriction
Category 3
Products applied to the face/body using fingertips
 No restriction Category 8
Products with significant anogenital exposure
 No restriction
Category 4
Products related to fine fragrance
 No restriction Category 9
Products with body and hand exposure, primarily rinse off
 No restriction
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 No restriction Category 10A
Household care products with mostly hand contact
 No restriction
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 No restriction Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 No restriction
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 No restriction Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 No restriction
Category 5D
Baby Creams, baby Oils and baby talc
 No restriction Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 No restriction
Category 6
Products with oral and lip exposure
 No restriction Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction